N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide Traditional Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-fluoro-benzenesulfonamide Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNS(=O)(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C20H23FN2O5S/c1-27-17-11-14-8-10-23(13-15(14)12-18(17)28-2)20(24)7-9-22-29(25,26)19-6-4-3-5-16(19)21/h3-6,11-12,22H,7-10,13H2,1-2H3